4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile

C11H9BrN2O2 — CID 107801564

IUPAC4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
SMILESN#Cc1ccc(Br)cc1N1CC(O)CC1=O
InChIInChI=1S/C11H9BrN2O2/c12-8-2-1-7(5-13)10(3-8)14-6-9(15)4-11(14)16/h1-3,9,15H,4,6H2
InChIKeyOPPOTPSWQVRZTR-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.42
Rot. Bonds1

About 4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile

4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile (PubChem CID 107801564) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
PubChem CID107801564
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
SMILESN#Cc1ccc(Br)cc1N1CC(O)CC1=O
InChIInChI=1S/C11H9BrN2O2/c12-8-2-1-7(5-13)10(3-8)14-6-9(15)4-11(14)16/h1-3,9,15H,4,6H2
InChIKeyOPPOTPSWQVRZTR-UHFFFAOYSA-N
XLogP1.42
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 114002446
1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one
CID 168703480
2-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703343
5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703507
2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703363
4-bromo-2-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 112694716
methyl 1-(4-bromo-2-cyanophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694787
methyl 3-cyano-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702170
2-(4-chloro-2-oxopyrrolidin-1-yl)-4-methylbenzonitrile
CID 168688079
1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168703542
2-(azocan-1-yl)-4-bromobenzonitrile
CID 112694673
4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile
CID 107841842

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile?
The IUPAC name of 4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile (CID 107801564) is 4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile.
What is the SMILES notation for 4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile?
The canonical SMILES for 4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile is N#Cc1ccc(Br)cc1N1CC(O)CC1=O.
What is the InChIKey of 4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile?
The InChIKey is OPPOTPSWQVRZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c12-8-2-1-7(5-13)10(3-8)14-6-9(15)4-11(14)16/h1-3,9,15H,4,6H2.
What are the key properties of 4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile?
4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile has a molecular weight of 281.11 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile is sourced from PubChem (CID 107801564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).